(E)-4-(2-methoxynaphthalen-1-yl)but-3-en-2-amine

C15H17NO — CID 103091403

IUPAC(E)-4-(2-methoxynaphthalen-1-yl)but-3-en-2-amine
SMILESCOc1ccc2ccccc2c1/C=C/C(C)N
InChIInChI=1S/C15H17NO/c1-11(16)7-9-14-13-6-4-3-5-12(13)8-10-15(14)17-2/h3-11H,16H2,1-2H3/b9-7+
InChIKeyZLWRFURDMASZBM-VQHVLOKHSA-N
MW227.31 g/mol
LogP3.21
Rot. Bonds3

About (E)-4-(2-methoxynaphthalen-1-yl)but-3-en-2-amine

(E)-4-(2-methoxynaphthalen-1-yl)but-3-en-2-amine (PubChem CID 103091403) has the molecular formula C15H17NO and a molecular weight of 227.31 g/mol. Its IUPAC name is (E)-4-(2-methoxynaphthalen-1-yl)but-3-en-2-amine.

Molecular Properties

Compound Name(E)-4-(2-methoxynaphthalen-1-yl)but-3-en-2-amine
PubChem CID103091403
Molecular FormulaC15H17NO
Molecular Weight227.31 g/mol
Exact Mass227.13
IUPAC Name(E)-4-(2-methoxynaphthalen-1-yl)but-3-en-2-amine
SMILESCOc1ccc2ccccc2c1/C=C/C(C)N
InChIInChI=1S/C15H17NO/c1-11(16)7-9-14-13-6-4-3-5-12(13)8-10-15(14)17-2/h3-11H,16H2,1-2H3/b9-7+
InChIKeyZLWRFURDMASZBM-VQHVLOKHSA-N
XLogP3.21
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methoxy-1-[2-[4-[2-(2-methoxynaphthalen-1-yl)ethenyl]phenyl]ethenyl]naphthalene
CID 75293754
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ethyl (E)-3-(2-methoxynaphthalen-1-yl)prop-2-enoate
CID 24905749
(E)-4-(2-methoxynaphthalen-1-yl)-2-oxobut-3-enoic acid
CID 82161137
N-[(2-methoxynaphthalen-1-yl)methylidene]hydroxylamine
CID 708036
(1R)-1-(2-methoxynaphthalen-1-yl)-2-methylbutan-1-amine;hydrochloride
CID 171212960
(E)-3-(2-methoxynaphthalen-1-yl)-1-phenylprop-2-en-1-one
CID 5351689
N-[3-(2-methoxynaphthalen-1-yl)prop-2-enyl]-2-methylpropan-2-amine
CID 79346963
N-ethyl-2-[(2-methoxynaphthalen-1-yl)methylidene]-3-methylbutan-1-amine
CID 79341734
1-(4-azidobut-1-enyl)-2-methoxynaphthalene
CID 170486044
(1S)-1-(2-methoxynaphthalen-1-yl)propane-1,3-diamine;hydrochloride
CID 171232538
(E)-1-(2-methoxynaphthalen-1-yl)-N-trimethylsilylmethanimine
CID 15419490

Frequently Asked Questions

What is the IUPAC name of (E)-4-(2-methoxynaphthalen-1-yl)but-3-en-2-amine?
The IUPAC name of (E)-4-(2-methoxynaphthalen-1-yl)but-3-en-2-amine (CID 103091403) is (E)-4-(2-methoxynaphthalen-1-yl)but-3-en-2-amine.
What is the SMILES notation for (E)-4-(2-methoxynaphthalen-1-yl)but-3-en-2-amine?
The canonical SMILES for (E)-4-(2-methoxynaphthalen-1-yl)but-3-en-2-amine is COc1ccc2ccccc2c1/C=C/C(C)N.
What is the InChIKey of (E)-4-(2-methoxynaphthalen-1-yl)but-3-en-2-amine?
The InChIKey is ZLWRFURDMASZBM-VQHVLOKHSA-N. The full InChI is InChI=1S/C15H17NO/c1-11(16)7-9-14-13-6-4-3-5-12(13)8-10-15(14)17-2/h3-11H,16H2,1-2H3/b9-7+.
What are the key properties of (E)-4-(2-methoxynaphthalen-1-yl)but-3-en-2-amine?
(E)-4-(2-methoxynaphthalen-1-yl)but-3-en-2-amine has a molecular weight of 227.31 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-(2-methoxynaphthalen-1-yl)but-3-en-2-amine is sourced from PubChem (CID 103091403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).